[(3S)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanol

C9H9FO3 — CID 66887115

IUPAC[(3S)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanol
SMILESOC[C@H]1COc2ccc(F)cc2O1
InChIInChI=1S/C9H9FO3/c10-6-1-2-8-9(3-6)13-7(4-11)5-12-8/h1-3,7,11H,4-5H2/t7-/m0/s1
InChIKeyBPCKRFYVGGIWHV-ZETCQYMHSA-N
MW184.17 g/mol
LogP0.96
Rot. Bonds1

About [(3S)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanol

[(3S)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanol (PubChem CID 66887115) has the molecular formula C9H9FO3 and a molecular weight of 184.17 g/mol. Its IUPAC name is [(3S)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanol
PubChem CID66887115
Molecular FormulaC9H9FO3
Molecular Weight184.17 g/mol
Exact Mass184.05
IUPAC Name[(3S)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanol
SMILESOC[C@H]1COc2ccc(F)cc2O1
InChIInChI=1S/C9H9FO3/c10-6-1-2-8-9(3-6)13-7(4-11)5-12-8/h1-3,7,11H,4-5H2/t7-/m0/s1
InChIKeyBPCKRFYVGGIWHV-ZETCQYMHSA-N
XLogP0.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3S)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3S)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanol?
The IUPAC name of [(3S)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanol (CID 66887115) is [(3S)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanol.
What is the SMILES notation for [(3S)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanol?
The canonical SMILES for [(3S)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanol is OC[C@H]1COc2ccc(F)cc2O1.
What is the InChIKey of [(3S)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanol?
The InChIKey is BPCKRFYVGGIWHV-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H9FO3/c10-6-1-2-8-9(3-6)13-7(4-11)5-12-8/h1-3,7,11H,4-5H2/t7-/m0/s1.
What are the key properties of [(3S)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanol?
[(3S)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanol has a molecular weight of 184.17 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanol is sourced from PubChem (CID 66887115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).